3-[2-cyanoethyl-(2-methylphenyl)amino]propanoic acid

Systemtic Name: 3-[2-cyanoethyl-(2-methylphenyl)amino]propanoic acid Openeye Name: 3-[N-(2-cyanoethyl)-2-methyl-anilino]propanoic acid CAS Name: 3-[N-(2-cyanoethyl)-2-methylanilino]propanoic acid IUPAC Name: 3-[N-(2-cyanoethyl)-2-methylanilino]propanoic acid Traditional Name: 3-[N-(2-cyanoethyl)-2-methyl-anilino]propionic acid Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CCC#N)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1N(CCC#N)CCC(=O)O

InChI

InChI=1S/C13H16N2O2/c1-11-5-2-3-6-12(11)15(9-4-8-14)10-7-13(16)17/h2-3,5-6H,4,7,9-10H2,1H3,(H,16,17)